4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide

C16H25N3O3S — CID 119312860

IUPAC4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
SMILESNCCCC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H25N3O3S/c17-9-5-8-16(20)18-13-14-6-4-7-15(12-14)23(21,22)19-10-2-1-3-11-19/h4,6-7,12H,1-3,5,8-11,13,17H2,(H,18,20)
InChIKeyKYCWULWWROZYAS-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.22
Rot. Bonds7

About 4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide

4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide (PubChem CID 119312860) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
PubChem CID119312860
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
SMILESNCCCC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H25N3O3S/c17-9-5-8-16(20)18-13-14-6-4-7-15(12-14)23(21,22)19-10-2-1-3-11-19/h4,6-7,12H,1-3,5,8-11,13,17H2,(H,18,20)
InChIKeyKYCWULWWROZYAS-UHFFFAOYSA-N
XLogP1.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide
CID 60621896
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
4-(3-bromophenoxy)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 51132965
7-amino-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]heptanamide;hydrochloride
CID 119690920
cis-(1R,2S)-2-methyl-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]cyclopropane-1-carboxamide
CID 95285827
2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119765108
N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55595326
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 119312856
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545042
1-butyl-2-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111151667
1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 70680204
4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide
CID 119310285

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide (CID 119312860) is 4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide is NCCCC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide?
The InChIKey is KYCWULWWROZYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c17-9-5-8-16(20)18-13-14-6-4-7-15(12-14)23(21,22)19-10-2-1-3-11-19/h4,6-7,12H,1-3,5,8-11,13,17H2,(H,18,20).
What are the key properties of 4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide?
4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide has a molecular weight of 339.46 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide is sourced from PubChem (CID 119312860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).